SCHEMBL4030336

SCHEMBL4030336

Cc1onc(-c2ccccc2)c1NC(=O)OC(C)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
LPAR1 Q92633 4/20 0.50
LPAR3 Q9UBY5 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NTRK1 P04629 2/20 0.46
SCN9A Q15858 3/20 0.45
SCN5A Q14524 2/20 0.45
LPAR2 Q9HBW0 1/20 0.44
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11977991 0.93 MAPT (0.44) MAPTLPAR1LPAR3NPSR1NTRK1
SCHEMBL11895549 0.90 LPAR1 (0.44) MAPTLPAR1LPAR3NPSR1NTRK1
SCHEMBL11895550 0.90 LPAR1 (0.44) MAPTLPAR1LPAR3NPSR1NTRK1
SCHEMBL11896349 0.90 LPAR1 (0.59) MAPTLPAR1LPAR3NPSR1SCN9A
SCHEMBL1246547 0.90 LPAR1 (0.59) MAPTLPAR1LPAR3NPSR1SCN9A
SCHEMBL1245271 0.90 LPAR1 (0.44) MAPTLPAR1LPAR3NPSR1NTRK1
SCHEMBL1247239 0.90 LPAR1 (0.59) MAPTLPAR1LPAR3NPSR1SCN9A
SCHEMBL11896287 0.90 LPAR1 (0.44) MAPTLPAR1LPAR3NPSR1NTRK1
SCHEMBL4034577 0.89 LPAR1 (0.52) MAPTLPAR1LPAR3NPSR1NTRK1
SCHEMBL11895363 0.89 LPAR1 (0.43) MAPTLPAR1LPAR3NPSR1NTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US claimed
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP disclosed
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US disclosed
US-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs KYOWA HAKKO KIRIN CO., LTD. (JP) 2003-06-19 US disclosed
EP-1258484-A1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs LPAR3, LPAR1, LPAR4 MAPT 4681/4885LPAR1 2/4885LPAR3 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.